(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol

C25H31FN2O — CID 10069224

IUPAC(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
SMILESO[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1
InChIKeyBXJUXLMPTUNFRY-DNQXCXABSA-N
MW394.53 g/mol
LogP3.74
Rot. Bonds3

About (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol

(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol (PubChem CID 10069224) has the molecular formula C25H31FN2O and a molecular weight of 394.53 g/mol. Its IUPAC name is (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
PubChem CID10069224
Molecular FormulaC25H31FN2O
Molecular Weight394.53 g/mol
Exact Mass394.24
IUPAC Name(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol
SMILESO[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1
InChIKeyBXJUXLMPTUNFRY-DNQXCXABSA-N
XLogP3.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol (CID 10069224) is (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol is O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol?
The InChIKey is BXJUXLMPTUNFRY-DNQXCXABSA-N. The full InChI is InChI=1S/C25H31FN2O/c26-21-7-5-19(6-8-21)17-27-14-10-24(29)23(18-27)28-15-12-25(13-16-28)11-9-20-3-1-2-4-22(20)25/h1-8,23-24,29H,9-18H2/t23-,24-/m1/s1.
What are the key properties of (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol?
(3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol has a molecular weight of 394.53 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(4-fluorophenyl)methyl]-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpiperidin-4-ol is sourced from PubChem (CID 10069224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).